2,6-ditert-butyl-4-(1-prop-2-ynyl-2H-pyrazolo[3,4-b]pyridin-3-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-ditert-butyl-4-(1-prop-2-ynyl-2H-pyrazolo[3,4-b]pyridin-3-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-(1-prop-2-ynyl-2H-pyrazolo[3,4-b]pyridin-3-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-(1-prop-2-ynyl-2H-pyrazolo[3,4-b]pyridin-3-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-(1-prop-2-ynyl-2H-pyrazolo[3,4-b]pyridin-3-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-(1-propargyl-2H-pyrazolo[3,4-b]pyridin-3-ylidene)cyclohexa-2,5-dien-1-one Formula: C23H27N3O MolecularWeight: 361.47998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C3=C(N=CC=C3)N(N2)CC#C)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C3=C(N=CC=C3)N(N2)CC#C)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C23H27N3O/c1-8-12-26-21-16(10-9-11-24-21)19(25-26)15-13-17(22(2,3)4)20(27)18(14-15)23(5,6)7/h1,9-11,13-14,25H,12H2,2-7H3